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  1. Third-Parties
  2. MatprojStructure
  3. mp-9812

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-9812
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Zn', 'C', 'O']
  • Chemical System: C-O-Zn
  • Density: 4.244193810043934
  • Atomic Density: 0.10189587190360373
  • Unit Cell Volume: 98.13940263900261
  • Molar Volume: 5.910092967943892
  • Full Formula: Zn2 C2 O6
  • Reduced Formula: ZnCO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -68.88936604
  • Final energy per atom: -6.8889366039999995
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.